N-(2-fluoroethyl)bicyclo[2.2.1]hept-5-ene-2-carboxamide

C10H14FNO — CID 130626747

IUPACN-(2-fluoroethyl)bicyclo[2.2.1]hept-5-ene-2-carboxamide
SMILESO=C(NCCF)C1CC2C=CC1C2
InChIInChI=1S/C10H14FNO/c11-3-4-12-10(13)9-6-7-1-2-8(9)5-7/h1-2,7-9H,3-6H2,(H,12,13)
InChIKeyPVQBJHGTULEQOZ-UHFFFAOYSA-N
MW183.23 g/mol
LogP1.28
Rot. Bonds3

About N-(2-fluoroethyl)bicyclo[2.2.1]hept-5-ene-2-carboxamide

N-(2-fluoroethyl)bicyclo[2.2.1]hept-5-ene-2-carboxamide (PubChem CID 130626747) has the molecular formula C10H14FNO and a molecular weight of 183.23 g/mol. Its IUPAC name is N-(2-fluoroethyl)bicyclo[2.2.1]hept-5-ene-2-carboxamide.

Molecular Properties

Compound NameN-(2-fluoroethyl)bicyclo[2.2.1]hept-5-ene-2-carboxamide
PubChem CID130626747
Molecular FormulaC10H14FNO
Molecular Weight183.23 g/mol
Exact Mass183.11
IUPAC NameN-(2-fluoroethyl)bicyclo[2.2.1]hept-5-ene-2-carboxamide
SMILESO=C(NCCF)C1CC2C=CC1C2
InChIInChI=1S/C10H14FNO/c11-3-4-12-10(13)9-6-7-1-2-8(9)5-7/h1-2,7-9H,3-6H2,(H,12,13)
InChIKeyPVQBJHGTULEQOZ-UHFFFAOYSA-N
XLogP1.28
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.23
LogP ≤ 51.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(2-fluoroethyl)bicyclo[2.2.1]hept-5-ene-2-carboxamide?
The IUPAC name of N-(2-fluoroethyl)bicyclo[2.2.1]hept-5-ene-2-carboxamide (CID 130626747) is N-(2-fluoroethyl)bicyclo[2.2.1]hept-5-ene-2-carboxamide.
What is the SMILES notation for N-(2-fluoroethyl)bicyclo[2.2.1]hept-5-ene-2-carboxamide?
The canonical SMILES for N-(2-fluoroethyl)bicyclo[2.2.1]hept-5-ene-2-carboxamide is O=C(NCCF)C1CC2C=CC1C2.
What is the InChIKey of N-(2-fluoroethyl)bicyclo[2.2.1]hept-5-ene-2-carboxamide?
The InChIKey is PVQBJHGTULEQOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14FNO/c11-3-4-12-10(13)9-6-7-1-2-8(9)5-7/h1-2,7-9H,3-6H2,(H,12,13).
What are the key properties of N-(2-fluoroethyl)bicyclo[2.2.1]hept-5-ene-2-carboxamide?
N-(2-fluoroethyl)bicyclo[2.2.1]hept-5-ene-2-carboxamide has a molecular weight of 183.23 g/mol, XLogP of 1.28, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-fluoroethyl)bicyclo[2.2.1]hept-5-ene-2-carboxamide is sourced from PubChem (CID 130626747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).